Information card for entry 4123541

Structure parameters

• Formula: C27 H24 Cl2 N2 O4 S
• Calculated formula: C27 H24 Cl2 N2 O4 S
• Title of publication: Phosphine-Catalyzed Highly Enantioselective [3 + 3] Cycloaddition of Morita-Baylis-Hillman Carbonates with C,N-Cyclic Azomethine Imines.
• Authors of publication: Zhang, Lei; Liu, Honglei; Qiao, Guanyu; Hou, Zhanfeng; Liu, Yang; Xiao, Yumei; Guo, Hongchao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Pages of publication: 150327094845007
• a: 12.181 ± 0.003 Å
• b: 11.497 ± 0.003 Å
• c: 19.231 ± 0.005 Å
• α: 90°
• β: 108.349 ± 0.003°
• γ: 90°
• Cell volume: 2556.3 ± 1.1 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No